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CHEBI:163936 - Thr-His-Cys

ChEBI IDCHEBI:163936
ChEBI NameThr-His-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N5O5S
Net Charge0
Average Mass359.408
Monoisotopic Mass359.12634
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C13H21N5O5S/c1-6(19)10(14)12(21)17-8(2-7-3-15-5-16-7)11(20)18-9(4-24)13(22)23/h3,5-6,8-10,19,24H,2,4,14H2,1H3,(H,15,16)(H,17,21)(H,18,20)(H,22,23)/t6-,8+,9+,10+/m1/s1
InChIKeyHEJJDUDEHLPDAW-CUJWVEQBSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thr-His-Cys (CHEBI:163936) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulanylpropanoic acid